SCHEMBL6692232

SCHEMBL6692232

CCCCN1CCCN(C(=O)c2cc(C(N)=O)ccc2OC)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
SLC29A1 Q99808 1/20 0.48
HTT P42858 1/20 0.47
DRD3 P35462 1/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DRD2 P14416 3/20 0.44
HTR4 Q13639 2/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR1D P28221 1/20 0.43
ADRA1B P35368 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6692407 0.92 KMT2A (0.54) KMT2AMEN1SLC29A1HTTDRD3
SCHEMBL6692234 0.87 HTR4 (0.52) KMT2AMEN1SLC29A1HTTDRD3
SCHEMBL6692575 0.85 LMNA (0.45) KMT2AHTTHPGDALDH1A1DRD2
SCHEMBL6692413 0.83 KMT2A (0.53) KMT2AMEN1SLC29A1HTTDRD3
SCHEMBL6692009 0.82 CA12 (0.46)
SCHEMBL6703688 0.80 PARP1 (0.49) KMT2AMEN1SLC29A1DRD3HPGD
SCHEMBL6687434 0.80 HPGD (0.44) KMT2AMEN1HPGDALDH1A1
SCHEMBL6697097 0.78 PARP1 (0.42) KMT2AMEN1HTTHPGDHSD17B10
SCHEMBL11938971 0.77 DRD2 (0.54) KMT2AMEN1HPGDPOLBALDH1A1
SCHEMBL6692746 0.76 CNR2 (0.51) KMT2AMEN1SLC29A1POLBL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004074438-A2 CCR8 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO claimed